methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate

C19H27NO4 — CID 22111960

IUPACmethyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCCCC1
InChIInChI=1S/C19H27NO4/c1-13-12-15(23-3)8-9-16(13)14(2)17(21)20-19(18(22)24-4)10-6-5-7-11-19/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyUGVJHOKJECLZKQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.10
Rot. Bonds5

About methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate

methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate (PubChem CID 22111960) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
PubChem CID22111960
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCCCC1
InChIInChI=1S/C19H27NO4/c1-13-12-15(23-3)8-9-16(13)14(2)17(21)20-19(18(22)24-4)10-6-5-7-11-19/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyUGVJHOKJECLZKQ-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 22112040
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
CID 46450947
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid
CID 22111996
methyl 1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55775399
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55572088
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate (CID 22111960) is methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCCCC1.
What is the InChIKey of methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is UGVJHOKJECLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13-12-15(23-3)8-9-16(13)14(2)17(21)20-19(18(22)24-4)10-6-5-7-11-19/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,20,21).
What are the key properties of methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 22111960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).